3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one

C23H22N6O2 — CID 91891398

IUPAC3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)[nH]c(=O)c34)CC2)c1
InChIInChI=1S/C23H22N6O2/c1-16-6-5-9-18(14-16)27-10-12-28(13-11-27)23(31)20-21-22(30)24-19(15-29(21)26-25-20)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,24,30)
InChIKeyMVLUYKWEBLGIJJ-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.36
Rot. Bonds3

About 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one

3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891398) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891398
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)[nH]c(=O)c34)CC2)c1
InChIInChI=1S/C23H22N6O2/c1-16-6-5-9-18(14-16)27-10-12-28(13-11-27)23(31)20-21-22(30)24-19(15-29(21)26-25-20)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,24,30)
InChIKeyMVLUYKWEBLGIJJ-UHFFFAOYSA-N
XLogP2.36
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-3-methylpiperidine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 125128416
3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-6-methyl-5H-triazolo[1,5-a]pyrazin-4-one
CID 91891411
7-methyl-3-(4-phenylpiperazine-1-carbonyl)-5H-triazolo[1,5-a]quinoxalin-4-one
CID 53170966
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
[4-(3-methylphenyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 27049072
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55871321
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(3-methylphenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 27049058
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91891167
(3-methylimidazo[1,5-a]pyridin-1-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110648923

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891398) is 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one is Cc1cccc(N2CCN(C(=O)c3nnn4cc(-c5ccccc5)[nH]c(=O)c34)CC2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is MVLUYKWEBLGIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-16-6-5-9-18(14-16)27-10-12-28(13-11-27)23(31)20-21-22(30)24-19(15-29(21)26-25-20)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,24,30).
What are the key properties of 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 414.47 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)piperazine-1-carbonyl]-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).